1-(4-methylsulfanylphenyl)-3-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[4-(methylthio)phenyl]-3-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-[4-(methylthio)phenyl]urea Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NCCCN2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-28-22-10-8-21(9-11-22)25-23(27)24-14-5-15-26-16-12-20(13-17-26)18-19-6-3-2-4-7-19/h2-4,6-11,20H,5,12-18H2,1H3,(H2,24,25,27)